3-[(1R,2R)-2-fluorocyclohexyl]-1-methyl-1-prop-2-enylurea

C11H19FN2O — CID 126790716

IUPAC3-[(1R,2R)-2-fluorocyclohexyl]-1-methyl-1-prop-2-enylurea
SMILESC=CCN(C)C(=O)N[C@@H]1CCCC[C@H]1F
InChIInChI=1S/C11H19FN2O/c1-3-8-14(2)11(15)13-10-7-5-4-6-9(10)12/h3,9-10H,1,4-8H2,2H3,(H,13,15)/t9-,10-/m1/s1
InChIKeyBVOWOURAYHOKPD-NXEZZACHSA-N
MW214.28 g/mol
LogP2.09
Rot. Bonds3

About 3-[(1R,2R)-2-fluorocyclohexyl]-1-methyl-1-prop-2-enylurea

3-[(1R,2R)-2-fluorocyclohexyl]-1-methyl-1-prop-2-enylurea (PubChem CID 126790716) has the molecular formula C11H19FN2O and a molecular weight of 214.28 g/mol. Its IUPAC name is 3-[(1R,2R)-2-fluorocyclohexyl]-1-methyl-1-prop-2-enylurea.

Molecular Properties

Compound Name3-[(1R,2R)-2-fluorocyclohexyl]-1-methyl-1-prop-2-enylurea
PubChem CID126790716
Molecular FormulaC11H19FN2O
Molecular Weight214.28 g/mol
Exact Mass214.15
IUPAC Name3-[(1R,2R)-2-fluorocyclohexyl]-1-methyl-1-prop-2-enylurea
SMILESC=CCN(C)C(=O)N[C@@H]1CCCC[C@H]1F
InChIInChI=1S/C11H19FN2O/c1-3-8-14(2)11(15)13-10-7-5-4-6-9(10)12/h3,9-10H,1,4-8H2,2H3,(H,13,15)/t9-,10-/m1/s1
InChIKeyBVOWOURAYHOKPD-NXEZZACHSA-N
XLogP2.09
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.28
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[(1R,2R)-2-fluorocyclohexyl]-1-methyl-1-prop-2-enylurea?
The IUPAC name of 3-[(1R,2R)-2-fluorocyclohexyl]-1-methyl-1-prop-2-enylurea (CID 126790716) is 3-[(1R,2R)-2-fluorocyclohexyl]-1-methyl-1-prop-2-enylurea.
What is the SMILES notation for 3-[(1R,2R)-2-fluorocyclohexyl]-1-methyl-1-prop-2-enylurea?
The canonical SMILES for 3-[(1R,2R)-2-fluorocyclohexyl]-1-methyl-1-prop-2-enylurea is C=CCN(C)C(=O)N[C@@H]1CCCC[C@H]1F.
What is the InChIKey of 3-[(1R,2R)-2-fluorocyclohexyl]-1-methyl-1-prop-2-enylurea?
The InChIKey is BVOWOURAYHOKPD-NXEZZACHSA-N. The full InChI is InChI=1S/C11H19FN2O/c1-3-8-14(2)11(15)13-10-7-5-4-6-9(10)12/h3,9-10H,1,4-8H2,2H3,(H,13,15)/t9-,10-/m1/s1.
What are the key properties of 3-[(1R,2R)-2-fluorocyclohexyl]-1-methyl-1-prop-2-enylurea?
3-[(1R,2R)-2-fluorocyclohexyl]-1-methyl-1-prop-2-enylurea has a molecular weight of 214.28 g/mol, XLogP of 2.09, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1R,2R)-2-fluorocyclohexyl]-1-methyl-1-prop-2-enylurea is sourced from PubChem (CID 126790716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).